4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate

C56H75N15O9 — CID 157140819

IUPAC4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCN.COc1cccc2cc(-c3nc(C4CCC(C(=O)CCCOCCN)CC4)n4ncnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12
InChIInChI=1S/C26H33N7O3.C21H22N6O3.C9H20N2O3/c1-35-21-6-2-4-18-14-19(31-22(18)21)23-24-25(28)29-15-30-33(24)26(32-23)17-9-7-16(8-10-17)20(34)5-3-12-36-13-11-27;1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29;1-9(2,3)14-8(12)11-5-7-13-6-4-10/h2,4,6,14-17,31H,3,5,7-13,27H2,1H3,(H2,28,29,30);2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24);4-7,10H2,1-3H3,(H,11,12)
InChIKeyAKDWNMVHKIWMSY-UHFFFAOYSA-N
MW1102.31 g/mol
LogP7.17
Rot. Bonds19

About 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate

4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate (PubChem CID 157140819) has the molecular formula C56H75N15O9 and a molecular weight of 1102.31 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate.

Molecular Properties

Compound Name4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate
PubChem CID157140819
Molecular FormulaC56H75N15O9
Molecular Weight1102.31 g/mol
Exact Mass1101.59
IUPAC Name4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCN.COc1cccc2cc(-c3nc(C4CCC(C(=O)CCCOCCN)CC4)n4ncnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12
InChIInChI=1S/C26H33N7O3.C21H22N6O3.C9H20N2O3/c1-35-21-6-2-4-18-14-19(31-22(18)21)23-24-25(28)29-15-30-33(24)26(32-23)17-9-7-16(8-10-17)20(34)5-3-12-36-13-11-27;1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29;1-9(2,3)14-8(12)11-5-7-13-6-4-10/h2,4,6,14-17,31H,3,5,7-13,27H2,1H3,(H2,28,29,30);2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24);4-7,10H2,1-3H3,(H,11,12)
InChIKeyAKDWNMVHKIWMSY-UHFFFAOYSA-N
XLogP7.17
TPSA351.44 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001102.31
LogP ≤ 57.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate with MolForge

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Related Compounds

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one
CID 147893863
5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 137032824
4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 135887237
4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 160868958
4-[4-amino-5-(4-methoxy-2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 73294744
4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 157184668
4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-sulfonamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 157162256
4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide
CID 135887265
methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 59133016
[(3R,6R,7E,9S,12R,14S,15E,17E,19E,21S)-1-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyloxy]cyclohexyl]-9-hydroxy-21-methoxy-6,8,12,14,20-pentamethyl-5,11-dioxo-22-[6-(2-oxo-2-piperidin-1-ylacetyl)oxan-2-yl]docosa-7,15,17,19-tetraen-3-yl] formate
CID 170104062
1-(4-aminobutyl)-3-(7-methoxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;tert-butyl N-[4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)butyl]carbamate;tert-butyl 2-[4-amino-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyrazolo[3,4-d]pyrimidin-3-yl]-7-methoxyindole-1-carboxylate;methane;[7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2,2,2-trifluoroacetaldehyde;2,2,2-trifluoroacetic acid
CID 159873574
[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 174092858

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate?
The IUPAC name of 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate (CID 157140819) is 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate.
What is the SMILES notation for 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate?
The canonical SMILES for 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCN.COc1cccc2cc(-c3nc(C4CCC(C(=O)CCCOCCN)CC4)n4ncnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.
What is the InChIKey of 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate?
The InChIKey is AKDWNMVHKIWMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3.C21H22N6O3.C9H20N2O3/c1-35-21-6-2-4-18-14-19(31-22(18)21)23-24-25(28)29-15-30-33(24)26(32-23)17-9-7-16(8-10-17)20(34)5-3-12-36-13-11-27;1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29;1-9(2,3)14-8(12)11-5-7-13-6-4-10/h2,4,6,14-17,31H,3,5,7-13,27H2,1H3,(H2,28,29,30);2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24);4-7,10H2,1-3H3,(H,11,12).
What are the key properties of 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate?
4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate has a molecular weight of 1102.31 g/mol, XLogP of 7.17, 19 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate is sourced from PubChem (CID 157140819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).